| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:19 UTC |
|---|
| Update Date | 2025-03-21 18:05:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055794 |
|---|
| Frequency | 57.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H9NO3S |
|---|
| Molecular Mass | 223.0303 |
|---|
| SMILES | Nc1cccc2c(S(=O)(=O)O)cccc12 |
|---|
| InChI Key | DQNAQOYOSRJXFZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalene sulfonic acids and derivatives |
|---|
| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
|---|
